Molecule card · MolClass #51475
14742005
14742005: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14742005Mitochondrial Fusion · compound_name
- MolClass ID
- 51475
- InChIKey
- FXCHHPMETQQPRQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2oc1c4ccccc4(C(=O)C(=O)c1c2C(=O)c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C20H11ClO4/c1-10-15(17(22)11-6-8-12(21)9-7-11)16-19(24)18(23)13-4-2-3-5-14(13)20(16)25-10/h2-9H,1H3
- Stored Murcko scaffold
- o1cc([CH]c2ccccc2)c3ccc4ccccc4c13
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 14742004#31929
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.753 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.215
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14742005